Detail information of H7CSN3O4

Structure

Basic information

Pretty formulaH7CSN3O4
Full formulaH28C4S4N12O16
TagsGuanidinium hydrogensulfate(VI)
Constituent elementsC; H; N; O; S;
Number of elements5
Number of sites64
Volume619.32482 Å3
Density1.68540 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a8.204 Å b5.120 Å c14.748 Å
α90.000° β90.981° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-373.69601 eV -5.83900 eV -1.03763 eV 5.46630 eV 0.00000 eV 0.04232 eV